SCHEMBL21526328

SCHEMBL21526328

O=[N+]([O-])c1ccc(N2CCC3(CC2)CNC3)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.64
ADRB1 P08588 1/20 0.64
MAPT P10636 2/20 0.58
CRBN Q96SW2 2/20 0.58
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
LMNA P02545 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.48
ESRRG P62508 1/20 0.47
AKR1C3 P42330 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30984901 0.90 SIRT6 (0.63) SIRT6ADRB1MAPTCRBNALDH1A1
SCHEMBL10035909 0.86 SIRT6 (0.71) SIRT6ADRB1MAPTCRBNALDH1A1
SCHEMBL30985176 0.85 SIRT6 (0.50) SIRT6ADRB1MAPTCRBNALDH1A1
SCHEMBL4290276 0.84 ESRRG (0.63) SIRT6ADRB1MAPTCRBNALDH1A1
SCHEMBL4290270 0.84 ESRRG (0.63) SIRT6ADRB1MAPTCRBNALDH1A1
SCHEMBL25447124 0.84 SIRT6 (0.58) SIRT6ADRB1MAPTCRBNALDH1A1
SCHEMBL30984980 0.84 MEN1 (0.63) SIRT6ADRB1MAPTCRBNALDH1A1
SCHEMBL13247587 0.81 SIRT6 (0.73) SIRT6ADRB1MAPTCRBNALDH1A1
SCHEMBL30985187 0.81 CRBN (0.62) SIRT6ADRB1MAPTCRBNALDH1A1
SCHEMBL18283605 0.81 MAPT (0.58) SIRT6ADRB1MAPTCRBNALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113614087-B WEE1 inhibitor and preparation and application thereof 首药控股(北京)股份有限公司 2023-06-02 CN disclosed
US-20220324868-A1 Pyrazolone-Fused Pyrimidine Compound, and Preparation Method and Use Therefor SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2022-10-13 US disclosed
EP-3943496-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF Shouyao Holdings (Beijing) Co., Ltd. (CN) 2022-01-26 EP disclosed
EP-3943496-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF Shouyao Holdings (Beijing) Co., Ltd. (CN) 2022-01-26 EP disclosed
EP-3564232-B1 BMP-SIGNAL-INHIBITING COMPOUND RIKEN (JP) 2022-01-26 EP disclosed
US-10954216-B2 BMP-signal-inhibiting compound RIKEN (JP) 2021-03-23 US disclosed
WO-2020192581-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF 首药控股(北京)有限公司 2020-10-01 WO disclosed
WO-2020192581-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF 首药控股(北京)有限公司 2020-10-01 WO disclosed
US-20190337926-A1 BMP-SIGNAL-INHIBITING COMPOUND RIKEN (JP) 2019-11-07 US disclosed
EP-3564232-A1 BMP-SIGNAL-INHIBITING COMPOUND Riken (JP) 2019-11-06 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10954216-B2 BMP-signal-inhibiting compound BMP1, BMP2, BMP4 SIRT6 2172/4885ADRB1 2265/4885MAPT 4782/4885
US-20220324868-A1 Pyrazolone-Fused Pyrimidine Compound, and Preparation Method and Use Therefor WEE1, WEE2, WASF2 SIRT6 1389/4885ADRB1 4106/4885MAPT 4504/4885
US-20190337926-A1 BMP-SIGNAL-INHIBITING COMPOUND BMP1, BMP2, BMPR2 SIRT6 1885/4885ADRB1 2143/4885MAPT 4243/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.